7-fluoro-9-[(6-methylnaphthalen-2-yl)methyl]carbazole-4-carboxamide

C25H19FN2O — CID 174444285

IUPAC7-fluoro-9-[(6-methylnaphthalen-2-yl)methyl]carbazole-4-carboxamide
SMILESCc1ccc2cc(Cn3c4cc(F)ccc4c4c(C(N)=O)cccc43)ccc2c1
InChIInChI=1S/C25H19FN2O/c1-15-5-7-18-12-16(6-8-17(18)11-15)14-28-22-4-2-3-21(25(27)29)24(22)20-10-9-19(26)13-23(20)28/h2-13H,14H2,1H3,(H2,27,29)
InChIKeyRHGLRROFFKSUDY-UHFFFAOYSA-N
MW382.44 g/mol
LogP5.54
Rot. Bonds3

About 7-fluoro-9-[(6-methylnaphthalen-2-yl)methyl]carbazole-4-carboxamide

7-fluoro-9-[(6-methylnaphthalen-2-yl)methyl]carbazole-4-carboxamide (PubChem CID 174444285) has the molecular formula C25H19FN2O and a molecular weight of 382.44 g/mol. Its IUPAC name is 7-fluoro-9-[(6-methylnaphthalen-2-yl)methyl]carbazole-4-carboxamide.

Molecular Properties

Compound Name7-fluoro-9-[(6-methylnaphthalen-2-yl)methyl]carbazole-4-carboxamide
PubChem CID174444285
Molecular FormulaC25H19FN2O
Molecular Weight382.44 g/mol
Exact Mass382.15
IUPAC Name7-fluoro-9-[(6-methylnaphthalen-2-yl)methyl]carbazole-4-carboxamide
SMILESCc1ccc2cc(Cn3c4cc(F)ccc4c4c(C(N)=O)cccc43)ccc2c1
InChIInChI=1S/C25H19FN2O/c1-15-5-7-18-12-16(6-8-17(18)11-15)14-28-22-4-2-3-21(25(27)29)24(22)20-10-9-19(26)13-23(20)28/h2-13H,14H2,1H3,(H2,27,29)
InChIKeyRHGLRROFFKSUDY-UHFFFAOYSA-N
XLogP5.54
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.44
LogP ≤ 55.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

9-[(4-ethoxyphenyl)methyl]-7-methylcarbazole-4-carboxamide
CID 174401373
7-(4-methoxyphenyl)-9-[(4-methylphenyl)methyl]carbazole-4-carboxamide
CID 174401048
3-[9-[(3-fluorophenyl)methyl]-7-methylcarbazol-4-yl]-3-oxopropanamide
CID 174639472
9-[(2,5-difluorophenyl)methyl]-7-fluorocarbazole-4-carboxamide
CID 174400321
9-[(3-acetamidophenyl)methyl]-7-methylcarbazole-4-carboxamide
CID 174414730
7-methyl-9-[(3-methylsulfonylphenyl)methyl]carbazole-4-carboxamide
CID 174401308
9-[(4-methylphenyl)methyl]-7-phenylcarbazole-4-carboxamide
CID 174424042
9-[(2-fluoro-3-methylphenyl)methyl]-7-methylcarbazole-4-carboxamide
CID 174400303
9-[(2-acetamidophenyl)methyl]-7-fluorocarbazole-4-carboxamide
CID 174401393
9-[(1-bromonaphthalen-2-yl)methyl]-7-methylcarbazole-4-carboxamide
CID 174399462
9-[(3-carbamoylphenyl)methyl]-7-ethylcarbazole-4-carboxamide
CID 174418283
9-[(2,5-dimethylphenyl)methyl]-7-propylcarbazole-4-carboxamide
CID 174440690

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-9-[(6-methylnaphthalen-2-yl)methyl]carbazole-4-carboxamide?
The IUPAC name of 7-fluoro-9-[(6-methylnaphthalen-2-yl)methyl]carbazole-4-carboxamide (CID 174444285) is 7-fluoro-9-[(6-methylnaphthalen-2-yl)methyl]carbazole-4-carboxamide.
What is the SMILES notation for 7-fluoro-9-[(6-methylnaphthalen-2-yl)methyl]carbazole-4-carboxamide?
The canonical SMILES for 7-fluoro-9-[(6-methylnaphthalen-2-yl)methyl]carbazole-4-carboxamide is Cc1ccc2cc(Cn3c4cc(F)ccc4c4c(C(N)=O)cccc43)ccc2c1.
What is the InChIKey of 7-fluoro-9-[(6-methylnaphthalen-2-yl)methyl]carbazole-4-carboxamide?
The InChIKey is RHGLRROFFKSUDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19FN2O/c1-15-5-7-18-12-16(6-8-17(18)11-15)14-28-22-4-2-3-21(25(27)29)24(22)20-10-9-19(26)13-23(20)28/h2-13H,14H2,1H3,(H2,27,29).
What are the key properties of 7-fluoro-9-[(6-methylnaphthalen-2-yl)methyl]carbazole-4-carboxamide?
7-fluoro-9-[(6-methylnaphthalen-2-yl)methyl]carbazole-4-carboxamide has a molecular weight of 382.44 g/mol, XLogP of 5.54, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-9-[(6-methylnaphthalen-2-yl)methyl]carbazole-4-carboxamide is sourced from PubChem (CID 174444285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).